2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid

C14H12O4 — CID 12615241

IUPAC2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid
SMILESO=C(CC(C(=O)O)c1ccco1)c1ccccc1
InChIInChI=1S/C14H12O4/c15-12(10-5-2-1-3-6-10)9-11(14(16)17)13-7-4-8-18-13/h1-8,11H,9H2,(H,16,17)
InChIKeyNAPWAJOPLPIIML-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.72
Rot. Bonds5

About 2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid

2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid (PubChem CID 12615241) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid
PubChem CID12615241
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid
SMILESO=C(CC(C(=O)O)c1ccco1)c1ccccc1
InChIInChI=1S/C14H12O4/c15-12(10-5-2-1-3-6-10)9-11(14(16)17)13-7-4-8-18-13/h1-8,11H,9H2,(H,16,17)
InChIKeyNAPWAJOPLPIIML-UHFFFAOYSA-N
XLogP2.72
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(furan-2-yl)butanedioic acid
CID 919498
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
2-(furan-2-yl)-3-sulfanylpropanoic acid
CID 117241167
2,3-bis(furan-2-yl)propanoic acid
CID 151762874
methyl 3-(furan-2-yl)-5-oxo-5-phenylpentanedithioate
CID 134919706
3-(furan-2-yl)-3-(4-methylphenyl)sulfanyl-1-phenylpropan-1-one
CID 4077181
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione
CID 11278679
2-(furan-2-yl)propanedioic acid
CID 19790856
(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
(2S)-4-oxo-2,4-diphenylbutanoate
CID 6950858

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid?
The IUPAC name of 2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid (CID 12615241) is 2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid.
What is the SMILES notation for 2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid?
The canonical SMILES for 2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid is O=C(CC(C(=O)O)c1ccco1)c1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid?
The InChIKey is NAPWAJOPLPIIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-12(10-5-2-1-3-6-10)9-11(14(16)17)13-7-4-8-18-13/h1-8,11H,9H2,(H,16,17).
What are the key properties of 2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid?
2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid has a molecular weight of 244.25 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid is sourced from PubChem (CID 12615241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).